N-(3H-benzimidazol-5-ylmethyl)-2-(4-propoxyphenyl)aniline

C23H23N3O — CID 135347319

IUPACN-(3H-benzimidazol-5-ylmethyl)-2-(4-propoxyphenyl)aniline
SMILESCCCOc1ccc(-c2ccccc2NCc2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C23H23N3O/c1-2-13-27-19-10-8-18(9-11-19)20-5-3-4-6-21(20)24-15-17-7-12-22-23(14-17)26-16-25-22/h3-12,14,16,24H,2,13,15H2,1H3,(H,25,26)
InChIKeyGPTRTTWTVVTZHX-UHFFFAOYSA-N
MW357.46 g/mol
LogP5.63
Rot. Bonds7

About N-(3H-benzimidazol-5-ylmethyl)-2-(4-propoxyphenyl)aniline

N-(3H-benzimidazol-5-ylmethyl)-2-(4-propoxyphenyl)aniline (PubChem CID 135347319) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-ylmethyl)-2-(4-propoxyphenyl)aniline.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-ylmethyl)-2-(4-propoxyphenyl)aniline
PubChem CID135347319
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC NameN-(3H-benzimidazol-5-ylmethyl)-2-(4-propoxyphenyl)aniline
SMILESCCCOc1ccc(-c2ccccc2NCc2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C23H23N3O/c1-2-13-27-19-10-8-18(9-11-19)20-5-3-4-6-21(20)24-15-17-7-12-22-23(14-17)26-16-25-22/h3-12,14,16,24H,2,13,15H2,1H3,(H,25,26)
InChIKeyGPTRTTWTVVTZHX-UHFFFAOYSA-N
XLogP5.63
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.46
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3H-benzimidazol-5-ylmethyl)-2-(4-phenoxyphenyl)aniline
CID 135347401
N-(3H-benzimidazol-5-ylmethyl)-2-(4-cyclohexyloxyphenyl)aniline
CID 135347469
N-(3H-benzimidazol-5-ylmethyl)-4-(4-methoxyphenyl)pyridin-3-amine
CID 135347411
N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)pyridin-2-amine
CID 142440503
N-(3H-benzimidazol-5-ylmethyl)-2-(4-fluorophenyl)pyridin-3-amine
CID 135347418
2-(3H-benzimidazol-5-ylamino)-2-(4-propoxyphenyl)acetonitrile
CID 71085650
2-(3H-benzimidazol-5-yl)-N-[2-(2-ethoxyphenyl)phenyl]acetamide
CID 175661419
[5-(3H-benzimidazol-5-ylmethylamino)quinolin-2-yl]azanide;carbanide;yttrium
CID 59551873
N'-(3H-benzimidazol-5-ylmethyl)-N-methylmethanediamine
CID 115226891
1-(3H-benzimidazol-5-yl)-N-[[5-(3-fluoro-4-propoxyphenyl)pyrimidin-2-yl]methyl]methanamine;formic acid
CID 172895635
N-(3H-benzimidazol-5-ylmethyl)-3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 21067401
N-(3H-benzimidazol-5-ylmethyl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 126836079

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-2-(4-propoxyphenyl)aniline?
The IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-2-(4-propoxyphenyl)aniline (CID 135347319) is N-(3H-benzimidazol-5-ylmethyl)-2-(4-propoxyphenyl)aniline.
What is the SMILES notation for N-(3H-benzimidazol-5-ylmethyl)-2-(4-propoxyphenyl)aniline?
The canonical SMILES for N-(3H-benzimidazol-5-ylmethyl)-2-(4-propoxyphenyl)aniline is CCCOc1ccc(-c2ccccc2NCc2ccc3nc[nH]c3c2)cc1.
What is the InChIKey of N-(3H-benzimidazol-5-ylmethyl)-2-(4-propoxyphenyl)aniline?
The InChIKey is GPTRTTWTVVTZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c1-2-13-27-19-10-8-18(9-11-19)20-5-3-4-6-21(20)24-15-17-7-12-22-23(14-17)26-16-25-22/h3-12,14,16,24H,2,13,15H2,1H3,(H,25,26).
What are the key properties of N-(3H-benzimidazol-5-ylmethyl)-2-(4-propoxyphenyl)aniline?
N-(3H-benzimidazol-5-ylmethyl)-2-(4-propoxyphenyl)aniline has a molecular weight of 357.46 g/mol, XLogP of 5.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-ylmethyl)-2-(4-propoxyphenyl)aniline is sourced from PubChem (CID 135347319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).